methyl 3-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0095 |
| Compound Name: | methyl 3-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C20 H20 N4 O6 S2 |
| Smiles: | CCOC(c1ccccc1NC(CSC1=Nc2c(C(N1N)=O)c(C)c(C(=O)OC)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3245 |
| logD: | 2.3162 |
| logSw: | -2.9142 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.829 |
| InChI Key: | XJPPKPLYLQYKRL-UHFFFAOYSA-N |